parmed.amber.AmberMask

class parmed.amber.AmberMask(parm, mask)

What is hopefully a fully-fledged Amber mask parser implemented in Python.

Parameters

parmStructure

The topology structure for which to select atoms

maskstr

The mask string that selects a subset of atoms

Methods

Selected([invert])	Generator that returns the indexes of selected atoms
Selection([prnlev, invert])	Parses the mask and analyzes the result to return an atom selection array

__init__(parm, mask)

Initialize self. See help(type(self)) for accurate signature.

Methods

Selected([invert])	Generator that returns the indexes of selected atoms
Selection([prnlev, invert])	Parses the mask and analyzes the result to return an atom selection array
__init__(parm, mask)	Initialize self.